Alkali earth metal clusters have been the subject of intense interest due to the wide range of
applications and unique characteristics of transition from nonmetallic to metallic bond. In this …

A key challenge in materials discovery is to find high-temperature superconductors.
Hydrogen and hydride materials have long been considered promising materials displaying …

The structural, mechanical, electronic, kinetic, thermodynamic, optical and hydrogen storage
properties of new perovskite hydrides XVH 3 (X= Na, K, Rb, Cs) were investigated using …

Bimetallic clusters have attracted much attention because of the structural and property
changes that occur: cluster size and doping. Here, we performed a structural search of the …

Extreme mass-ratio inspirals (EMRIs) detectable by the Laser Interferometer Space Antenna
are unique probes of the nature of supermassive compact objects. We compute the …

The chemical interaction of Sn with H2 by X‐ray diffraction methods at pressures of 180–210
GPa is studied. A previously unknown tetrahydride SnH4 with a cubic structure (fcc) …

Recent advances in theory and experiment declare the rare-earth (RE) hydrogen-rich
compound La H 10 is a near room-temperature superconductor under high pressure. To …

This paper reports systematic studies of small sized magnesium clusters doped with two
barium atoms in both neutral and anionic species. The search, geometric optimization, and …

Over the past decade, a combination of crystal structure prediction techniques and
experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides …

This study addresses the hydrogen storage capabilities and mechanical, optoelectronic, and
thermoelectric features of double perovskite hydrides A 2 FeH 6 (A= Be, Mg). The structural …